Crystallography Open Database

Information card for entry 8106226

Preview

Coordinates	8106226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl N7 O8 Zn
Calculated formula	C24 H24 Cl N7 O8 Zn
SMILES	[Zn]12([n]3c([nH]c4ccccc34)C[NH]2Cc2[n]1c1c([nH]2)cccc1)(OC(=O)/C=C\C(=O)O)[N]#CC.Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Crystal structure of acetonitrile{bis(2-benzimidazolylmethyl)amine-κ3 N,N′,N′′}-{maleato-κO}zinc(II) perchlorate - acetonitrile (1/1), C24H24ClN7O8Zn
Authors of publication	Chen, Jiang-Li; Wang, Chen; Su, Guo-Hua; Nie, Feng-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	593 - 595
a	10.0834 ± 0.0007 Å
b	10.8269 ± 0.0007 Å
c	13.1958 ± 0.0008 Å
α	77.658 ± 0.005°
β	77.135 ± 0.005°
γ	87.797 ± 0.005°
Cell volume	1371.93 ± 0.16 Å³
Cell temperature	105.6 K
Ambient diffraction temperature	105.6 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279507 (current)	2022-11-23	cif/ Adding structures of 8106226 via cif-deposit CGI script.	8106226.cif